Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL904576 | 0.90 | — | — | |
| SCHEMBL26253 | 0.89 | — | — | |
| SCHEMBL8433285 | 0.89 | — | — | |
| Benzene SCHEMBL10868483 | 0.86 | ACHE (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL1437503 | 0.84 | — | — | |
| Hydrogen Sulfide SCHEMBL10802332 | 0.84 | — | — | |
| Hydrogen Sulfide SCHEMBL4798139 | 0.84 | — | — | |
| SCHEMBL4294610 | 0.84 | — | — | |
| Bromide SCHEMBL20920200 | 0.84 | LMNA (0.50) | — | |
| SCHEMBL10436508 | 0.84 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5708064-A | CONTAINING THERMOSETTING RESIN | PPG INDUSTRIES, INC. (US) | 1998-01-13 | — | — | US | disclosed |
| WO-1995010790-A1 | HIGH REFRACTIVE INDEX PHOTOCHROMIC OPHTHALMIC ARTICLE | PPG INDUSTRIES, INC. (US) | 1995-04-20 | — | — | WO | disclosed |